SCHEMBL5517458

SCHEMBL5517458

CCOC(=O)C1CCC(Oc2ccc(F)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.52
EPHX2 P34913 8/20 0.50
ALDH1A1 P00352 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
TP53 P04637 1/20 0.46
RECQL P46063 1/20 0.46
PKM P14618 1/20 0.45
MLNR O43193 1/20 0.44
DGAT1 O75907 1/20 0.44
SOAT1 P35610 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10148089 1.00 POLB (0.52) POLBEPHX2ALDH1A1TDP1KMT2A
SCHEMBL8707305 0.88 P2RX3 (0.45) POLBEPHX2ALDH1A1TDP1KMT2A
SCHEMBL8707307 0.88 P2RX3 (0.45) POLBEPHX2ALDH1A1TDP1KMT2A
SCHEMBL10184259 0.88 CHRM1 (0.53) POLBEPHX2ALDH1A1KMT2AMEN1
SCHEMBL3412804 0.87 POLB (0.53) POLBALDH1A1TDP1KMT2AMEN1
SCHEMBL3542997 0.87 POLB (0.53) POLBALDH1A1TDP1KMT2AMEN1
SCHEMBL3412798 0.87 POLB (0.53) POLBALDH1A1TDP1KMT2AMEN1
SCHEMBL5321162 0.85 KMT2A (0.57) POLBEPHX2ALDH1A1KMT2AMEN1
SCHEMBL5523536 0.85 MEN1 (0.59) POLBALDH1A1KMT2AMEN1
SCHEMBL2471998 0.85 EPHX2 (0.56) EPHX2DGAT1SOAT1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070167452-A1 Therapeutic amide derivatives PFIZER, INC. 2007-07-19 US disclosed
US-20070167452-A1 Therapeutic amide derivatives PFIZER, INC. 2007-07-19 US disclosed
US-20070167452-A1 Therapeutic amide derivatives PFIZER, INC. 2007-07-19 US disclosed
EP-1716100-A2 THERAPEUTIC AMIDE DERIVATIVES Pfizer, Inc. (US) 2006-11-02 EP disclosed
WO-2005080317-A2 THERAPEUTIC AMIDE DERIVATIVES PFIZER JAPAN, INC. (JP) 2005-09-01 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070167452-A1 Therapeutic amide derivatives GRIN1, GRIN2B, GRIN3A POLB 2911/4885EPHX2 2106/4885ALDH1A1 1187/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.